2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide

C17H22FN5OS — CID 120902801

IUPAC2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C17H22FN5OS/c1-12(16(24)21-14-4-2-3-13(18)9-14)23-7-5-22(6-8-23)11-15-10-20-17(19)25-15/h2-4,9-10,12H,5-8,11H2,1H3,(H2,19,20)(H,21,24)
InChIKeyMCQJKZPTVQEICH-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.01
Rot. Bonds5

About 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide

2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 120902801) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID120902801
Molecular FormulaC17H22FN5OS
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC Name2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C17H22FN5OS/c1-12(16(24)21-14-4-2-3-13(18)9-14)23-7-5-22(6-8-23)11-15-10-20-17(19)25-15/h2-4,9-10,12H,5-8,11H2,1H3,(H2,19,20)(H,21,24)
InChIKeyMCQJKZPTVQEICH-UHFFFAOYSA-N
XLogP2.01
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
CID 51087134
N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
CID 55841391
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55843314
2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60513034
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 119857243
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
CID 119857266
methyl 5-[[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78900851
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (CID 120902801) is 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide is CC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is MCQJKZPTVQEICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5OS/c1-12(16(24)21-14-4-2-3-13(18)9-14)23-7-5-22(6-8-23)11-15-10-20-17(19)25-15/h2-4,9-10,12H,5-8,11H2,1H3,(H2,19,20)(H,21,24).
What are the key properties of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 120902801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).